2,6-bis(azanyl)-3-[3,3-bis(bromanyl)propanoyl]benzenesulfonic acid

Systemtic Name: 2,6-bis(azanyl)-3-[3,3-bis(bromanyl)propanoyl]benzenesulfonic acid Openeye Name: 2,6-diamino-3-(3,3-dibromopropanoyl)benzenesulfonic acid CAS Name: 2,6-diamino-3-(3,3-dibromo-1-oxopropyl)benzenesulfonic acid IUPAC Name: 2,6-diamino-3-(3,3-dibromopropanoyl)benzenesulfonic acid Traditional Name: 2,6-diamino-3-(3,3-dibromopropanoyl)besylic acid Formula: C9H10Br2N2O4S MolecularWeight: 402.0597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)CC(Br)Br)N)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)CC(Br)Br)N)S(=O)(=O)O)N

InChI

InChI=1S/C9H10Br2N2O4S/c10-7(11)3-6(14)4-1-2-5(12)9(8(4)13)18(15,16)17/h1-2,7H,3,12-13H2,(H,15,16,17)